5-bromo-3-(methylamino)-1,3-dihydroindol-2-one

C9H9BrN2O — CID 16792341

IUPAC5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-11-8-6-4-5(10)2-3-7(6)12-9(8)13/h2-4,8,11H,1H3,(H,12,13)
InChIKeyFWUZBTOPAXLQAP-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.66
Rot. Bonds1

About 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one

5-bromo-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 16792341) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID16792341
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-11-8-6-4-5(10)2-3-7(6)12-9(8)13/h2-4,8,11H,1H3,(H,12,13)
InChIKeyFWUZBTOPAXLQAP-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one (CID 16792341) is 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is FWUZBTOPAXLQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-11-8-6-4-5(10)2-3-7(6)12-9(8)13/h2-4,8,11H,1H3,(H,12,13).
What are the key properties of 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 16792341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).